2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(4-methoxyphenyl)-6-methyl-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]thio]acetate Formula: C14H13N2O3S- MolecularWeight: 289.32962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)SCC(=O)[O-]

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)SCC(=O)[O-]

InChI

InChI=1S/C14H14N2O3S/c1-9-7-12(10-3-5-11(19-2)6-4-10)16-14(15-9)20-8-13(17)18/h3-7H,8H2,1-2H3,(H,17,18)/p-1